General Information of the Compound
| Compound ID |
CP0493398
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| Compound Name |
US9434711, 502
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| Structure |
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| Formula |
C28H23F4NO4S2
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| Molecular Weight |
577.621
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C1CCCC1
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| InChI |
InChI=1S/C28H23F4NO4S2/c29-23-14-9-17(15-22(23)28(30,31)32)16-33(39(36,37)20-12-10-19(11-13-20)27(34)35)26-25(18-5-1-2-6-18)21-7-3-4-8-24(21)38-26/h3-4,7-15,18H,1-2,5-6,16H2,(H,34,35)
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| InChIKey |
JRIPDDZIWBPUJA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound